기본 정보
- CAS
104809-02-1- 표준 SMILES
C[C@@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O- InChIKey
MZFOKIKEPGUZEN-PNEPRAIJSA-N- 분자식
- C25H40N7O19P3S
- 평균 분자량
- 867.6 g/mol
- 단동위원소 질량
- 867.13125424
이름 및 식별자
- 우선 이름
- CH3-malonyl-CoA
- IUPAC
- (2S)-3-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-methyl-3-oxopropanoic acid
- 현지명
- 메틸말로닐코엔자임A리튬
- 영어명
- METHYLMALONYL COENZYME A LITHIUM
- 분자식
- C25H41LiN7O19P3S
- 분자량
- 875.55
이름 및 동의어
CH3-malonyl-CoADTXSID00331402RefChem:333646DTXCID1028249673173-91-8methyl-malonyl-coenzyme ACH3-malonyl-Coenzyme A(S)-methyl-malonyl-CoAD-methylmalonyl-Coenzyme AL-methylmalonyl-Coenzyme A(R)-methylmalonyl-Coenzyme A(S)-methyl-malonyl-Coenzyme A
이름 더 보기
메틸말로닐코엔자임A리튬MM-CoAMethylmalonyl-CoAMETHYLMALONYL COENZYME A LITHIUMMETHYLMALONYL COENZYME A TETRALITHIUM &α-methylmalonyl coenzyme a tetralithium saltMethylmalonyl-CoA tetra-lithium salt hydratecoenzyme A methylmalonyl derivative, lithium saltmethylmalonyl coenzyme a tetralithium salt hydrateS-(hydrogenmethylpropanedioate)-CoA,tetralithiumsaltMethylmalonyl coenzyme A hydrate tetralithium salt
SCHEMBL29378271(20S)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8,20-trimethyl-3,5,10,14,19-pentaoxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphahenicosan-21-oic acid
물성
구조 계산 물성
- XLogP
- -5.4
- 극성 표면적
- 426 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 24
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,530
실험 및 물리화학적 성질
Physical DescriptionSolid
물리화학적 성질
- 저장 조건
- -20 °C · -20°C
- 용해도
- 2 O: · H2O: 50 mg/mL, 투명, 무색
- 물리적 상태
- Solid
- 색상
- Off-white to light yellow
- InChIKey
- ANDKBBZIPFWODN-WLVKLPLXSA-J
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 22-26-36
- F 고인화성물질
- 10-21
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsExtracellular
Metabolite PathwaysValine, leucine and isoleucine degradation
응용 분야
용도Methylmalonyl coenzyme A (CoA) has been used in the preparation of the calibration curve in ultra-performance liquid chromatography-mass spectrometry (UPLC-MS/MS). It has also been used in the measurement of methylmalonyl-CoA mutase and methylmalonyl-CoA epimerase activity.
공급사13 곳
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
金锦乐(湖南)化学有限公司
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